USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 10 TYR OH : rot -150:sc= 0.53 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -1.12 K(o=-0.59,f=-9.1!) USER MOD Single : X 4 LYS NZ :NH3+ 177:sc= 1.56 (180deg=1.37) USER MOD Single : X 5 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.22) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= -0.933! USER MOD Single : X 17 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : X 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : X 24 LYS NZ :NH3+ 137:sc= 1.22 (180deg=0.949) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : X 30 THR OG1 : rot 171:sc= -0.921! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -99:sc= 0.925 USER MOD Single : X 47 HIS : no HD1:sc= -2.55 K(o=-2.5,f=-4.1!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 2.11 K(o=2.1,f=-6.4!) USER MOD Single : X 77 LYS NZ :NH3+ -150:sc= 0.575! (180deg=0.167!) USER MOD Single : X 80 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0547) USER MOD Single : X 86 ASN : amide:sc= -4.35! C(o=-4.4!,f=-6!) USER MOD Single : X 88 LYS NZ :NH3+ -164:sc= -0.0237 (180deg=-0.22) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 59.607 3.287 8.323 1.00 0.00 N ATOM 2 CA GLU X 2 59.600 4.708 7.963 1.00 0.00 C ATOM 3 C GLU X 2 60.948 5.115 7.420 1.00 0.00 C ATOM 4 O GLU X 2 61.991 4.705 7.960 1.00 0.00 O ATOM 5 CB GLU X 2 59.249 5.567 9.168 1.00 0.00 C ATOM 6 CG GLU X 2 57.842 5.365 9.666 1.00 0.00 C ATOM 7 CD GLU X 2 56.823 5.738 8.630 1.00 0.00 C ATOM 8 OE1 GLU X 2 56.450 4.884 7.811 1.00 0.00 O ATOM 9 OE2 GLU X 2 56.375 6.892 8.622 1.00 0.00 O ATOM 0 HA GLU X 2 58.843 4.861 7.194 1.00 0.00 H new ATOM 0 HB2 GLU X 2 59.946 5.346 9.976 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.386 6.616 8.907 1.00 0.00 H new ATOM 0 HG2 GLU X 2 57.704 4.322 9.952 1.00 0.00 H new ATOM 0 HG3 GLU X 2 57.685 5.965 10.563 1.00 0.00 H new ATOM 16 N LEU X 3 60.930 5.992 6.438 1.00 0.00 N ATOM 17 CA LEU X 3 62.125 6.404 5.746 1.00 0.00 C ATOM 18 C LEU X 3 62.710 7.610 6.441 1.00 0.00 C ATOM 19 O LEU X 3 61.981 8.420 7.035 1.00 0.00 O ATOM 20 CB LEU X 3 61.797 6.812 4.293 1.00 0.00 C ATOM 21 CG LEU X 3 61.074 5.790 3.412 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.933 6.310 1.969 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.793 4.463 3.431 1.00 0.00 C ATOM 0 H LEU X 3 60.079 6.440 6.098 1.00 0.00 H new ATOM 0 HA LEU X 3 62.827 5.570 5.746 1.00 0.00 H new ATOM 0 HB2 LEU X 3 61.188 7.715 4.328 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.732 7.077 3.800 1.00 0.00 H new ATOM 0 HG LEU X 3 60.074 5.643 3.819 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.416 5.566 1.363 1.00 0.00 H new ATOM 0 HD12 LEU X 3 60.361 7.238 1.971 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.922 6.495 1.551 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.262 3.752 2.798 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.808 4.594 3.056 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.829 4.083 4.452 1.00 0.00 H new ATOM 35 N LYS X 4 64.002 7.699 6.431 1.00 0.00 N ATOM 36 CA LYS X 4 64.701 8.821 6.996 1.00 0.00 C ATOM 37 C LYS X 4 65.291 9.581 5.826 1.00 0.00 C ATOM 38 O LYS X 4 65.659 8.969 4.845 1.00 0.00 O ATOM 39 CB LYS X 4 65.862 8.365 7.895 1.00 0.00 C ATOM 40 CG LYS X 4 65.673 7.088 8.706 1.00 0.00 C ATOM 41 CD LYS X 4 64.370 6.994 9.396 1.00 0.00 C ATOM 42 CE LYS X 4 64.408 5.880 10.398 1.00 0.00 C ATOM 43 NZ LYS X 4 63.064 5.424 10.771 1.00 0.00 N ATOM 0 H LYS X 4 64.613 6.989 6.027 1.00 0.00 H new ATOM 0 HA LYS X 4 64.017 9.418 7.599 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.742 8.235 7.265 1.00 0.00 H new ATOM 0 HB3 LYS X 4 66.085 9.174 8.591 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.782 6.230 8.042 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.469 7.021 9.447 1.00 0.00 H new ATOM 0 HD2 LYS X 4 64.143 7.936 9.894 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.576 6.817 8.671 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.973 5.043 9.987 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.937 6.214 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.140 4.620 11.426 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.550 6.201 11.234 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.549 5.128 9.918 1.00 0.00 H new ATOM 57 N ASN X 5 65.421 10.878 5.919 1.00 0.00 N ATOM 58 CA ASN X 5 65.924 11.638 4.770 1.00 0.00 C ATOM 59 C ASN X 5 67.461 11.638 4.739 1.00 0.00 C ATOM 60 O ASN X 5 68.078 12.221 3.845 1.00 0.00 O ATOM 61 CB ASN X 5 65.404 13.074 4.762 1.00 0.00 C ATOM 62 CG ASN X 5 65.164 13.612 3.353 1.00 0.00 C ATOM 63 OD1 ASN X 5 65.382 14.797 3.085 1.00 0.00 O ATOM 64 ND2 ASN X 5 64.644 12.778 2.477 1.00 0.00 N ATOM 0 H ASN X 5 65.197 11.431 6.746 1.00 0.00 H new ATOM 0 HA ASN X 5 65.551 11.140 3.875 1.00 0.00 H new ATOM 0 HB2 ASN X 5 64.473 13.121 5.327 1.00 0.00 H new ATOM 0 HB3 ASN X 5 66.120 13.717 5.274 1.00 0.00 H new ATOM 0 HD21 ASN X 5 64.407 13.105 1.540 1.00 0.00 H new ATOM 0 HD22 ASN X 5 64.478 11.805 2.735 1.00 0.00 H new ATOM 71 N SER X 6 68.061 11.002 5.725 1.00 0.00 N ATOM 72 CA SER X 6 69.493 10.839 5.790 1.00 0.00 C ATOM 73 C SER X 6 69.808 9.499 6.458 1.00 0.00 C ATOM 74 O SER X 6 68.971 8.966 7.203 1.00 0.00 O ATOM 75 CB SER X 6 70.145 12.019 6.527 1.00 0.00 C ATOM 76 OG SER X 6 69.576 12.202 7.817 1.00 0.00 O ATOM 0 H SER X 6 67.561 10.582 6.508 1.00 0.00 H new ATOM 0 HA SER X 6 69.912 10.833 4.784 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.217 11.844 6.622 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.022 12.929 5.941 1.00 0.00 H new ATOM 0 HG SER X 6 70.012 12.958 8.262 1.00 0.00 H new ATOM 82 N ILE X 7 70.996 8.976 6.224 1.00 0.00 N ATOM 83 CA ILE X 7 71.384 7.649 6.711 1.00 0.00 C ATOM 84 C ILE X 7 71.635 7.653 8.241 1.00 0.00 C ATOM 85 O ILE X 7 71.663 6.610 8.883 1.00 0.00 O ATOM 86 CB ILE X 7 72.667 7.146 5.963 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.903 5.642 6.168 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.901 7.929 6.388 1.00 0.00 C ATOM 89 CD1 ILE X 7 71.846 4.767 5.525 1.00 0.00 C ATOM 0 H ILE X 7 71.725 9.452 5.692 1.00 0.00 H new ATOM 0 HA ILE X 7 70.556 6.970 6.506 1.00 0.00 H new ATOM 0 HB ILE X 7 72.493 7.318 4.901 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.879 5.377 5.760 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.936 5.431 7.237 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.772 7.555 5.851 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.759 8.985 6.158 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.057 7.809 7.460 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.079 3.719 5.711 1.00 0.00 H new ATOM 0 HD12 ILE X 7 70.870 5.003 5.950 1.00 0.00 H new ATOM 0 HD13 ILE X 7 71.827 4.949 4.450 1.00 0.00 H new ATOM 101 N SER X 8 71.720 8.834 8.821 1.00 0.00 N ATOM 102 CA SER X 8 72.096 8.974 10.214 1.00 0.00 C ATOM 103 C SER X 8 70.928 8.604 11.152 1.00 0.00 C ATOM 104 O SER X 8 71.113 8.375 12.350 1.00 0.00 O ATOM 105 CB SER X 8 72.617 10.400 10.477 1.00 0.00 C ATOM 106 OG SER X 8 73.236 10.510 11.748 1.00 0.00 O ATOM 0 H SER X 8 71.532 9.716 8.345 1.00 0.00 H new ATOM 0 HA SER X 8 72.902 8.273 10.431 1.00 0.00 H new ATOM 0 HB2 SER X 8 73.331 10.675 9.700 1.00 0.00 H new ATOM 0 HB3 SER X 8 71.789 11.106 10.414 1.00 0.00 H new ATOM 0 HG SER X 8 73.555 11.427 11.878 1.00 0.00 H new ATOM 112 N ASP X 9 69.730 8.511 10.607 1.00 0.00 N ATOM 113 CA ASP X 9 68.578 8.134 11.419 1.00 0.00 C ATOM 114 C ASP X 9 68.222 6.690 11.079 1.00 0.00 C ATOM 115 O ASP X 9 67.266 6.122 11.583 1.00 0.00 O ATOM 116 CB ASP X 9 67.388 9.054 11.123 1.00 0.00 C ATOM 117 CG ASP X 9 66.354 9.136 12.251 1.00 0.00 C ATOM 118 OD1 ASP X 9 65.450 8.282 12.343 1.00 0.00 O ATOM 119 OD2 ASP X 9 66.409 10.111 13.034 1.00 0.00 O ATOM 0 H ASP X 9 69.526 8.687 9.623 1.00 0.00 H new ATOM 0 HA ASP X 9 68.818 8.230 12.478 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.762 10.057 10.916 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.892 8.706 10.217 1.00 0.00 H new ATOM 124 N TYR X 10 69.049 6.085 10.257 1.00 0.00 N ATOM 125 CA TYR X 10 68.813 4.740 9.788 1.00 0.00 C ATOM 126 C TYR X 10 69.642 3.785 10.566 1.00 0.00 C ATOM 127 O TYR X 10 70.866 3.925 10.635 1.00 0.00 O ATOM 128 CB TYR X 10 69.153 4.551 8.284 1.00 0.00 C ATOM 129 CG TYR X 10 68.004 4.732 7.308 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.017 3.757 7.192 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.902 5.854 6.503 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.965 3.900 6.307 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.845 6.004 5.622 1.00 0.00 C ATOM 134 CZ TYR X 10 65.888 5.023 5.534 1.00 0.00 C ATOM 135 OH TYR X 10 64.830 5.185 4.696 1.00 0.00 O ATOM 0 H TYR X 10 69.902 6.511 9.896 1.00 0.00 H new ATOM 0 HA TYR X 10 67.748 4.551 9.923 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.941 5.256 8.020 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.563 3.550 8.149 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.075 2.871 7.806 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.658 6.623 6.563 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.211 3.131 6.228 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.773 6.889 5.007 1.00 0.00 H new ATOM 0 HH TYR X 10 65.106 5.715 3.919 1.00 0.00 H new ATOM 145 N THR X 11 69.006 2.852 11.203 1.00 0.00 N ATOM 146 CA THR X 11 69.736 1.785 11.780 1.00 0.00 C ATOM 147 C THR X 11 69.934 0.820 10.634 1.00 0.00 C ATOM 148 O THR X 11 69.259 0.963 9.583 1.00 0.00 O ATOM 149 CB THR X 11 68.956 1.065 12.935 1.00 0.00 C ATOM 150 OG1 THR X 11 67.858 0.315 12.419 1.00 0.00 O ATOM 151 CG2 THR X 11 68.413 2.060 13.940 1.00 0.00 C ATOM 0 H THR X 11 67.995 2.813 11.332 1.00 0.00 H new ATOM 0 HA THR X 11 70.661 2.146 12.231 1.00 0.00 H new ATOM 0 HB THR X 11 69.667 0.400 13.425 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.388 -0.126 13.157 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.878 1.528 14.727 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.238 2.622 14.378 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.731 2.748 13.439 1.00 0.00 H new ATOM 159 N GLU X 12 70.812 -0.116 10.779 1.00 0.00 N ATOM 160 CA GLU X 12 70.997 -1.116 9.760 1.00 0.00 C ATOM 161 C GLU X 12 69.681 -1.846 9.447 1.00 0.00 C ATOM 162 O GLU X 12 69.316 -1.987 8.293 1.00 0.00 O ATOM 163 CB GLU X 12 72.112 -2.068 10.153 1.00 0.00 C ATOM 164 CG GLU X 12 72.138 -2.381 11.639 1.00 0.00 C ATOM 165 CD GLU X 12 73.173 -3.387 11.998 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.330 -3.023 12.179 1.00 0.00 O ATOM 167 OE2 GLU X 12 72.840 -4.577 12.119 1.00 0.00 O ATOM 0 H GLU X 12 71.418 -0.216 11.593 1.00 0.00 H new ATOM 0 HA GLU X 12 71.300 -0.623 8.836 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.000 -2.998 9.595 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.069 -1.635 9.863 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.322 -1.462 12.196 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.159 -2.749 11.945 1.00 0.00 H new ATOM 174 N ALA X 13 68.934 -2.205 10.476 1.00 0.00 N ATOM 175 CA ALA X 13 67.660 -2.886 10.292 1.00 0.00 C ATOM 176 C ALA X 13 66.584 -1.960 9.692 1.00 0.00 C ATOM 177 O ALA X 13 65.769 -2.415 8.879 1.00 0.00 O ATOM 178 CB ALA X 13 67.182 -3.552 11.561 1.00 0.00 C ATOM 0 H ALA X 13 69.186 -2.037 11.450 1.00 0.00 H new ATOM 0 HA ALA X 13 67.836 -3.678 9.564 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.229 -4.047 11.375 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.917 -4.289 11.884 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.055 -2.801 12.341 1.00 0.00 H new ATOM 184 N GLU X 14 66.570 -0.666 10.094 1.00 0.00 N ATOM 185 CA GLU X 14 65.627 0.326 9.508 1.00 0.00 C ATOM 186 C GLU X 14 65.831 0.360 8.027 1.00 0.00 C ATOM 187 O GLU X 14 64.877 0.424 7.234 1.00 0.00 O ATOM 188 CB GLU X 14 65.909 1.753 10.040 1.00 0.00 C ATOM 189 CG GLU X 14 65.497 2.005 11.467 1.00 0.00 C ATOM 190 CD GLU X 14 64.026 1.868 11.670 1.00 0.00 C ATOM 191 OE1 GLU X 14 63.301 2.862 11.496 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.568 0.779 12.044 1.00 0.00 O ATOM 0 H GLU X 14 67.189 -0.286 10.810 1.00 0.00 H new ATOM 0 HA GLU X 14 64.613 0.030 9.778 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.977 1.952 9.948 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.394 2.469 9.399 1.00 0.00 H new ATOM 0 HG2 GLU X 14 66.017 1.305 12.121 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.809 3.007 11.760 1.00 0.00 H new ATOM 199 N PHE X 15 67.079 0.282 7.667 1.00 0.00 N ATOM 200 CA PHE X 15 67.479 0.327 6.322 1.00 0.00 C ATOM 201 C PHE X 15 67.123 -0.971 5.613 1.00 0.00 C ATOM 202 O PHE X 15 66.613 -0.929 4.517 1.00 0.00 O ATOM 203 CB PHE X 15 68.966 0.612 6.247 1.00 0.00 C ATOM 204 CG PHE X 15 69.437 1.052 4.905 1.00 0.00 C ATOM 205 CD1 PHE X 15 68.899 2.172 4.311 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.430 0.371 4.248 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.344 2.591 3.091 1.00 0.00 C ATOM 208 CE2 PHE X 15 70.876 0.789 3.027 1.00 0.00 C ATOM 209 CZ PHE X 15 70.329 1.897 2.454 1.00 0.00 C ATOM 0 H PHE X 15 67.851 0.184 8.327 1.00 0.00 H new ATOM 0 HA PHE X 15 66.947 1.130 5.812 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.214 1.382 6.977 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.512 -0.287 6.534 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.119 2.723 4.815 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.865 -0.507 4.702 1.00 0.00 H new ATOM 0 HE1 PHE X 15 68.917 3.470 2.631 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.658 0.244 2.519 1.00 0.00 H new ATOM 0 HZ PHE X 15 70.679 2.228 1.487 1.00 0.00 H new ATOM 219 N VAL X 16 67.358 -2.129 6.256 1.00 0.00 N ATOM 220 CA VAL X 16 67.061 -3.415 5.610 1.00 0.00 C ATOM 221 C VAL X 16 65.569 -3.583 5.303 1.00 0.00 C ATOM 222 O VAL X 16 65.216 -4.251 4.343 1.00 0.00 O ATOM 223 CB VAL X 16 67.611 -4.682 6.336 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.039 -4.558 6.729 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.752 -5.155 7.456 1.00 0.00 C ATOM 0 H VAL X 16 67.743 -2.199 7.198 1.00 0.00 H new ATOM 0 HA VAL X 16 67.617 -3.353 4.675 1.00 0.00 H new ATOM 0 HB VAL X 16 67.568 -5.470 5.584 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.359 -5.472 7.229 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.649 -4.398 5.840 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.158 -3.713 7.407 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.200 -6.038 7.910 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.663 -4.367 8.204 1.00 0.00 H new ATOM 0 HG23 VAL X 16 65.762 -5.406 7.075 1.00 0.00 H new ATOM 235 N GLN X 17 64.712 -2.955 6.107 1.00 0.00 N ATOM 236 CA GLN X 17 63.290 -2.966 5.876 1.00 0.00 C ATOM 237 C GLN X 17 63.000 -2.232 4.568 1.00 0.00 C ATOM 238 O GLN X 17 62.255 -2.722 3.715 1.00 0.00 O ATOM 239 CB GLN X 17 62.587 -2.313 7.073 1.00 0.00 C ATOM 240 CG GLN X 17 61.146 -1.950 6.832 1.00 0.00 C ATOM 241 CD GLN X 17 60.253 -3.132 6.487 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.461 -4.263 6.947 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.286 -2.888 5.642 1.00 0.00 N ATOM 0 H GLN X 17 64.996 -2.428 6.933 1.00 0.00 H new ATOM 0 HA GLN X 17 62.912 -3.984 5.782 1.00 0.00 H new ATOM 0 HB2 GLN X 17 62.639 -2.993 7.923 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.133 -1.412 7.351 1.00 0.00 H new ATOM 0 HG2 GLN X 17 60.753 -1.460 7.723 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.097 -1.223 6.021 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.147 -1.943 5.285 1.00 0.00 H new ATOM 0 HE22 GLN X 17 58.671 -3.643 5.339 1.00 0.00 H new ATOM 252 N LEU X 18 63.645 -1.090 4.404 1.00 0.00 N ATOM 253 CA LEU X 18 63.556 -0.319 3.178 1.00 0.00 C ATOM 254 C LEU X 18 64.085 -1.135 2.031 1.00 0.00 C ATOM 255 O LEU X 18 63.467 -1.237 0.994 1.00 0.00 O ATOM 256 CB LEU X 18 64.377 0.960 3.300 1.00 0.00 C ATOM 257 CG LEU X 18 64.643 1.719 1.987 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.367 2.203 1.333 1.00 0.00 C ATOM 259 CD2 LEU X 18 65.616 2.852 2.198 1.00 0.00 C ATOM 0 H LEU X 18 64.244 -0.672 5.116 1.00 0.00 H new ATOM 0 HA LEU X 18 62.512 -0.061 3.000 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.865 1.633 3.988 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.336 0.711 3.753 1.00 0.00 H new ATOM 0 HG LEU X 18 65.099 1.008 1.298 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.609 2.732 0.411 1.00 0.00 H new ATOM 0 HD12 LEU X 18 62.729 1.349 1.105 1.00 0.00 H new ATOM 0 HD13 LEU X 18 62.843 2.877 2.011 1.00 0.00 H new ATOM 0 HD21 LEU X 18 65.783 3.369 1.253 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.207 3.552 2.927 1.00 0.00 H new ATOM 0 HD23 LEU X 18 66.562 2.455 2.567 1.00 0.00 H new ATOM 271 N LEU X 19 65.208 -1.733 2.268 1.00 0.00 N ATOM 272 CA LEU X 19 65.910 -2.556 1.310 1.00 0.00 C ATOM 273 C LEU X 19 65.069 -3.700 0.799 1.00 0.00 C ATOM 274 O LEU X 19 65.052 -3.979 -0.400 1.00 0.00 O ATOM 275 CB LEU X 19 67.147 -3.058 1.957 1.00 0.00 C ATOM 276 CG LEU X 19 68.177 -1.985 2.255 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.435 -2.575 2.728 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.425 -1.098 1.074 1.00 0.00 C ATOM 0 H LEU X 19 65.688 -1.665 3.166 1.00 0.00 H new ATOM 0 HA LEU X 19 66.151 -1.951 0.436 1.00 0.00 H new ATOM 0 HB2 LEU X 19 66.879 -3.556 2.889 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.600 -3.811 1.312 1.00 0.00 H new ATOM 0 HG LEU X 19 67.765 -1.364 3.050 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.154 -1.782 2.934 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.250 -3.143 3.640 1.00 0.00 H new ATOM 0 HD13 LEU X 19 69.836 -3.239 1.962 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.169 -0.345 1.334 1.00 0.00 H new ATOM 0 HD22 LEU X 19 68.791 -1.697 0.240 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.496 -0.606 0.787 1.00 0.00 H new ATOM 290 N LYS X 20 64.337 -4.325 1.694 1.00 0.00 N ATOM 291 CA LYS X 20 63.414 -5.381 1.339 1.00 0.00 C ATOM 292 C LYS X 20 62.306 -4.847 0.442 1.00 0.00 C ATOM 293 O LYS X 20 61.826 -5.542 -0.463 1.00 0.00 O ATOM 294 CB LYS X 20 62.808 -6.015 2.582 1.00 0.00 C ATOM 295 CG LYS X 20 63.765 -6.839 3.403 1.00 0.00 C ATOM 296 CD LYS X 20 63.055 -7.437 4.600 1.00 0.00 C ATOM 297 CE LYS X 20 63.939 -8.389 5.384 1.00 0.00 C ATOM 298 NZ LYS X 20 64.183 -9.665 4.667 1.00 0.00 N ATOM 0 H LYS X 20 64.365 -4.115 2.692 1.00 0.00 H new ATOM 0 HA LYS X 20 63.974 -6.143 0.796 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.398 -5.226 3.212 1.00 0.00 H new ATOM 0 HB3 LYS X 20 61.973 -6.647 2.280 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.189 -7.634 2.789 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.595 -6.217 3.738 1.00 0.00 H new ATOM 0 HD2 LYS X 20 62.718 -6.635 5.257 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.165 -7.968 4.263 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.893 -7.905 5.591 1.00 0.00 H new ATOM 0 HE3 LYS X 20 63.474 -8.601 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.720 -10.311 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.273 -10.102 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.727 -9.478 3.801 1.00 0.00 H new ATOM 312 N GLU X 21 61.901 -3.633 0.701 1.00 0.00 N ATOM 313 CA GLU X 21 60.873 -2.994 -0.068 1.00 0.00 C ATOM 314 C GLU X 21 61.383 -2.474 -1.397 1.00 0.00 C ATOM 315 O GLU X 21 60.641 -2.455 -2.379 1.00 0.00 O ATOM 316 CB GLU X 21 60.157 -1.934 0.743 1.00 0.00 C ATOM 317 CG GLU X 21 59.322 -2.529 1.865 1.00 0.00 C ATOM 318 CD GLU X 21 58.179 -3.377 1.343 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.400 -4.513 0.896 1.00 0.00 O ATOM 320 OE2 GLU X 21 57.019 -2.920 1.384 1.00 0.00 O ATOM 0 H GLU X 21 62.278 -3.059 1.455 1.00 0.00 H new ATOM 0 HA GLU X 21 60.133 -3.755 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU X 21 60.890 -1.246 1.165 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.513 -1.350 0.085 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.960 -3.137 2.506 1.00 0.00 H new ATOM 0 HG3 GLU X 21 58.922 -1.725 2.483 1.00 0.00 H new ATOM 327 N ILE X 22 62.645 -2.070 -1.447 1.00 0.00 N ATOM 328 CA ILE X 22 63.241 -1.667 -2.708 1.00 0.00 C ATOM 329 C ILE X 22 63.237 -2.860 -3.646 1.00 0.00 C ATOM 330 O ILE X 22 62.896 -2.737 -4.814 1.00 0.00 O ATOM 331 CB ILE X 22 64.683 -1.124 -2.563 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.733 -0.023 -1.508 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.153 -0.576 -3.903 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.090 0.633 -1.351 1.00 0.00 C ATOM 0 H ILE X 22 63.266 -2.014 -0.640 1.00 0.00 H new ATOM 0 HA ILE X 22 62.644 -0.846 -3.104 1.00 0.00 H new ATOM 0 HB ILE X 22 65.339 -1.936 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.001 0.742 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.433 -0.443 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.169 -0.193 -3.803 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.137 -1.372 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.491 0.230 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.035 1.403 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.826 -0.117 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.387 1.086 -2.297 1.00 0.00 H new ATOM 346 N GLU X 23 63.569 -4.026 -3.098 1.00 0.00 N ATOM 347 CA GLU X 23 63.521 -5.280 -3.840 1.00 0.00 C ATOM 348 C GLU X 23 62.128 -5.548 -4.367 1.00 0.00 C ATOM 349 O GLU X 23 61.946 -5.992 -5.493 1.00 0.00 O ATOM 350 CB GLU X 23 63.861 -6.439 -2.957 1.00 0.00 C ATOM 351 CG GLU X 23 65.289 -6.537 -2.514 1.00 0.00 C ATOM 352 CD GLU X 23 65.567 -7.929 -2.035 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.027 -8.331 -0.988 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.236 -8.685 -2.760 1.00 0.00 O ATOM 0 H GLU X 23 63.877 -4.127 -2.131 1.00 0.00 H new ATOM 0 HA GLU X 23 64.238 -5.181 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.230 -6.390 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.602 -7.358 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU X 23 65.955 -6.285 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.484 -5.820 -1.716 1.00 0.00 H new ATOM 361 N LYS X 24 61.161 -5.254 -3.535 1.00 0.00 N ATOM 362 CA LYS X 24 59.765 -5.502 -3.796 1.00 0.00 C ATOM 363 C LYS X 24 59.302 -4.739 -5.048 1.00 0.00 C ATOM 364 O LYS X 24 58.566 -5.281 -5.884 1.00 0.00 O ATOM 365 CB LYS X 24 58.984 -5.073 -2.565 1.00 0.00 C ATOM 366 CG LYS X 24 57.496 -5.404 -2.558 1.00 0.00 C ATOM 367 CD LYS X 24 57.231 -6.902 -2.397 1.00 0.00 C ATOM 368 CE LYS X 24 57.747 -7.449 -1.055 1.00 0.00 C ATOM 369 NZ LYS X 24 57.161 -6.753 0.117 1.00 0.00 N ATOM 0 H LYS X 24 61.329 -4.821 -2.627 1.00 0.00 H new ATOM 0 HA LYS X 24 59.594 -6.560 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.441 -5.537 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.095 -3.995 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.010 -4.863 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.045 -5.056 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.160 -7.089 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.709 -7.442 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS X 24 57.519 -8.513 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.832 -7.353 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.904 -7.452 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 57.857 -6.087 0.509 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.311 -6.232 -0.178 1.00 0.00 H new ATOM 383 N GLU X 25 59.742 -3.499 -5.181 1.00 0.00 N ATOM 384 CA GLU X 25 59.443 -2.712 -6.352 1.00 0.00 C ATOM 385 C GLU X 25 60.381 -3.093 -7.502 1.00 0.00 C ATOM 386 O GLU X 25 59.991 -3.063 -8.662 1.00 0.00 O ATOM 387 CB GLU X 25 59.553 -1.222 -6.036 1.00 0.00 C ATOM 388 CG GLU X 25 58.552 -0.728 -5.004 1.00 0.00 C ATOM 389 CD GLU X 25 57.120 -0.843 -5.476 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.694 -0.044 -6.339 1.00 0.00 O ATOM 391 OE2 GLU X 25 56.390 -1.732 -4.989 1.00 0.00 O ATOM 0 H GLU X 25 60.311 -3.018 -4.484 1.00 0.00 H new ATOM 0 HA GLU X 25 58.418 -2.920 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.561 -1.011 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.417 -0.656 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.674 -1.299 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU X 25 58.768 0.313 -4.764 1.00 0.00 H new ATOM 398 N ASN X 26 61.609 -3.478 -7.161 1.00 0.00 N ATOM 399 CA ASN X 26 62.628 -3.877 -8.146 1.00 0.00 C ATOM 400 C ASN X 26 62.184 -5.089 -8.954 1.00 0.00 C ATOM 401 O ASN X 26 62.180 -5.053 -10.185 1.00 0.00 O ATOM 402 CB ASN X 26 63.975 -4.195 -7.469 1.00 0.00 C ATOM 403 CG ASN X 26 65.053 -4.619 -8.467 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.089 -4.149 -9.602 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.903 -5.532 -8.069 1.00 0.00 N ATOM 0 H ASN X 26 61.932 -3.524 -6.195 1.00 0.00 H new ATOM 0 HA ASN X 26 62.755 -3.028 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.318 -3.317 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.830 -4.990 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.621 -5.873 -8.708 1.00 0.00 H new ATOM 0 HD22 ASN X 26 65.847 -5.902 -7.120 1.00 0.00 H new ATOM 412 N VAL X 27 61.788 -6.150 -8.265 1.00 0.00 N ATOM 413 CA VAL X 27 61.396 -7.399 -8.925 1.00 0.00 C ATOM 414 C VAL X 27 60.121 -7.230 -9.764 1.00 0.00 C ATOM 415 O VAL X 27 59.923 -7.929 -10.765 1.00 0.00 O ATOM 416 CB VAL X 27 61.231 -8.585 -7.922 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.541 -8.888 -7.219 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.142 -8.311 -6.898 1.00 0.00 C ATOM 0 H VAL X 27 61.728 -6.176 -7.247 1.00 0.00 H new ATOM 0 HA VAL X 27 62.218 -7.648 -9.596 1.00 0.00 H new ATOM 0 HB VAL X 27 60.934 -9.457 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.399 -9.717 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.296 -9.157 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL X 27 62.870 -8.007 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.059 -9.160 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.394 -7.415 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.191 -8.161 -7.409 1.00 0.00 H new ATOM 428 N ALA X 28 59.288 -6.285 -9.370 1.00 0.00 N ATOM 429 CA ALA X 28 58.046 -6.018 -10.068 1.00 0.00 C ATOM 430 C ALA X 28 58.268 -5.032 -11.203 1.00 0.00 C ATOM 431 O ALA X 28 57.478 -4.969 -12.137 1.00 0.00 O ATOM 432 CB ALA X 28 57.008 -5.482 -9.103 1.00 0.00 C ATOM 0 H ALA X 28 59.452 -5.685 -8.562 1.00 0.00 H new ATOM 0 HA ALA X 28 57.683 -6.954 -10.493 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.080 -5.285 -9.639 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.826 -6.217 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.371 -4.557 -8.655 1.00 0.00 H new ATOM 438 N ALA X 29 59.360 -4.282 -11.100 1.00 0.00 N ATOM 439 CA ALA X 29 59.753 -3.250 -12.054 1.00 0.00 C ATOM 440 C ALA X 29 58.682 -2.192 -12.214 1.00 0.00 C ATOM 441 O ALA X 29 58.104 -2.003 -13.298 1.00 0.00 O ATOM 442 CB ALA X 29 60.194 -3.823 -13.393 1.00 0.00 C ATOM 0 H ALA X 29 60.017 -4.378 -10.326 1.00 0.00 H new ATOM 0 HA ALA X 29 60.629 -2.759 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.475 -3.010 -14.062 1.00 0.00 H new ATOM 0 HB2 ALA X 29 61.050 -4.481 -13.243 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.374 -4.389 -13.834 1.00 0.00 H new ATOM 448 N THR X 30 58.398 -1.530 -11.132 1.00 0.00 N ATOM 449 CA THR X 30 57.430 -0.478 -11.108 1.00 0.00 C ATOM 450 C THR X 30 58.135 0.834 -11.461 1.00 0.00 C ATOM 451 O THR X 30 59.257 0.808 -11.995 1.00 0.00 O ATOM 452 CB THR X 30 56.798 -0.411 -9.707 1.00 0.00 C ATOM 453 OG1 THR X 30 57.828 -0.291 -8.726 1.00 0.00 O ATOM 454 CG2 THR X 30 56.016 -1.671 -9.423 1.00 0.00 C ATOM 0 H THR X 30 58.839 -1.709 -10.230 1.00 0.00 H new ATOM 0 HA THR X 30 56.636 -0.658 -11.833 1.00 0.00 H new ATOM 0 HB THR X 30 56.131 0.450 -9.669 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.427 -0.102 -7.852 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.575 -1.609 -8.428 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.225 -1.783 -10.165 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.683 -2.532 -9.471 1.00 0.00 H new ATOM 462 N ASP X 31 57.519 1.963 -11.208 1.00 0.00 N ATOM 463 CA ASP X 31 58.181 3.219 -11.508 1.00 0.00 C ATOM 464 C ASP X 31 58.074 4.214 -10.400 1.00 0.00 C ATOM 465 O ASP X 31 59.080 4.736 -9.973 1.00 0.00 O ATOM 466 CB ASP X 31 57.727 3.818 -12.835 1.00 0.00 C ATOM 467 CG ASP X 31 58.368 5.166 -13.133 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.478 5.201 -13.730 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.769 6.217 -12.799 1.00 0.00 O ATOM 0 H ASP X 31 56.585 2.044 -10.806 1.00 0.00 H new ATOM 0 HA ASP X 31 59.238 2.971 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.965 3.123 -13.641 1.00 0.00 H new ATOM 0 HB3 ASP X 31 56.643 3.933 -12.823 1.00 0.00 H new ATOM 474 N ASP X 32 56.869 4.454 -9.910 1.00 0.00 N ATOM 475 CA ASP X 32 56.647 5.466 -8.851 1.00 0.00 C ATOM 476 C ASP X 32 57.514 5.267 -7.670 1.00 0.00 C ATOM 477 O ASP X 32 58.389 6.085 -7.385 1.00 0.00 O ATOM 478 CB ASP X 32 55.185 5.571 -8.397 1.00 0.00 C ATOM 479 CG ASP X 32 54.307 6.322 -9.346 1.00 0.00 C ATOM 480 OD1 ASP X 32 53.728 5.702 -10.259 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.180 7.548 -9.202 1.00 0.00 O ATOM 0 H ASP X 32 56.024 3.973 -10.217 1.00 0.00 H new ATOM 0 HA ASP X 32 56.919 6.407 -9.328 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.783 4.566 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.152 6.059 -7.423 1.00 0.00 H new ATOM 486 N VAL X 33 57.342 4.183 -7.033 1.00 0.00 N ATOM 487 CA VAL X 33 58.011 3.939 -5.830 1.00 0.00 C ATOM 488 C VAL X 33 59.353 3.358 -6.091 1.00 0.00 C ATOM 489 O VAL X 33 60.289 3.604 -5.350 1.00 0.00 O ATOM 490 CB VAL X 33 57.161 3.087 -4.906 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.909 2.744 -3.696 1.00 0.00 C ATOM 492 CG2 VAL X 33 55.987 3.880 -4.511 1.00 0.00 C ATOM 0 H VAL X 33 56.724 3.430 -7.337 1.00 0.00 H new ATOM 0 HA VAL X 33 58.175 4.884 -5.311 1.00 0.00 H new ATOM 0 HB VAL X 33 56.872 2.171 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.285 2.133 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL X 33 58.805 2.186 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.194 3.657 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL X 33 55.357 3.290 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL X 33 56.314 4.783 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL X 33 55.418 4.155 -5.399 1.00 0.00 H new ATOM 502 N LEU X 34 59.464 2.688 -7.204 1.00 0.00 N ATOM 503 CA LEU X 34 60.710 2.127 -7.633 1.00 0.00 C ATOM 504 C LEU X 34 61.704 3.258 -7.762 1.00 0.00 C ATOM 505 O LEU X 34 62.808 3.168 -7.254 1.00 0.00 O ATOM 506 CB LEU X 34 60.486 1.400 -8.968 1.00 0.00 C ATOM 507 CG LEU X 34 61.635 0.598 -9.609 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.531 1.487 -10.430 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.435 -0.177 -8.570 1.00 0.00 C ATOM 0 H LEU X 34 58.686 2.516 -7.841 1.00 0.00 H new ATOM 0 HA LEU X 34 61.100 1.401 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.650 0.714 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.167 2.147 -9.695 1.00 0.00 H new ATOM 0 HG LEU X 34 61.181 -0.132 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.331 0.891 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.950 1.955 -11.224 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.961 2.259 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.235 -0.728 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.865 0.518 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.778 -0.876 -8.052 1.00 0.00 H new ATOM 521 N ASP X 35 61.265 4.365 -8.340 1.00 0.00 N ATOM 522 CA ASP X 35 62.138 5.507 -8.483 1.00 0.00 C ATOM 523 C ASP X 35 62.450 6.111 -7.162 1.00 0.00 C ATOM 524 O ASP X 35 63.611 6.419 -6.902 1.00 0.00 O ATOM 525 CB ASP X 35 61.590 6.558 -9.424 1.00 0.00 C ATOM 526 CG ASP X 35 62.557 7.691 -9.666 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.590 7.480 -10.351 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.285 8.811 -9.221 1.00 0.00 O ATOM 0 H ASP X 35 60.323 4.492 -8.711 1.00 0.00 H new ATOM 0 HA ASP X 35 63.058 5.129 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.340 6.091 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.664 6.959 -9.013 1.00 0.00 H new ATOM 533 N VAL X 36 61.434 6.221 -6.298 1.00 0.00 N ATOM 534 CA VAL X 36 61.627 6.829 -4.988 1.00 0.00 C ATOM 535 C VAL X 36 62.676 6.112 -4.242 1.00 0.00 C ATOM 536 O VAL X 36 63.622 6.696 -3.786 1.00 0.00 O ATOM 537 CB VAL X 36 60.411 6.657 -4.065 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.684 7.286 -2.740 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.186 7.203 -4.618 1.00 0.00 C ATOM 0 H VAL X 36 60.484 5.900 -6.484 1.00 0.00 H new ATOM 0 HA VAL X 36 61.845 7.875 -5.202 1.00 0.00 H new ATOM 0 HB VAL X 36 60.258 5.584 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.817 7.160 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.551 6.810 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.883 8.349 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.368 7.047 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.312 8.271 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.956 6.702 -5.558 1.00 0.00 H new ATOM 549 N LEU X 37 62.523 4.826 -4.203 1.00 0.00 N ATOM 550 CA LEU X 37 63.328 4.014 -3.378 1.00 0.00 C ATOM 551 C LEU X 37 64.716 3.998 -3.847 1.00 0.00 C ATOM 552 O LEU X 37 65.633 4.076 -3.056 1.00 0.00 O ATOM 553 CB LEU X 37 62.794 2.633 -3.317 1.00 0.00 C ATOM 554 CG LEU X 37 61.336 2.498 -2.851 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.883 1.060 -2.843 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.127 3.130 -1.479 1.00 0.00 C ATOM 0 H LEU X 37 61.829 4.317 -4.750 1.00 0.00 H new ATOM 0 HA LEU X 37 63.309 4.440 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.882 2.186 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.425 2.049 -2.647 1.00 0.00 H new ATOM 0 HG LEU X 37 60.723 3.039 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.847 1.007 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU X 37 60.960 0.649 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.514 0.484 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.085 3.016 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.769 2.637 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.378 4.190 -1.525 1.00 0.00 H new ATOM 568 N LEU X 38 64.863 3.941 -5.131 1.00 0.00 N ATOM 569 CA LEU X 38 66.138 3.924 -5.732 1.00 0.00 C ATOM 570 C LEU X 38 66.891 5.208 -5.470 1.00 0.00 C ATOM 571 O LEU X 38 68.045 5.172 -5.027 1.00 0.00 O ATOM 572 CB LEU X 38 66.012 3.640 -7.208 1.00 0.00 C ATOM 573 CG LEU X 38 65.550 2.224 -7.590 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.695 2.002 -9.059 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.278 1.141 -6.811 1.00 0.00 C ATOM 0 H LEU X 38 64.086 3.905 -5.791 1.00 0.00 H new ATOM 0 HA LEU X 38 66.722 3.122 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.311 4.356 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.979 3.823 -7.676 1.00 0.00 H new ATOM 0 HG LEU X 38 64.496 2.152 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.363 0.994 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.088 2.729 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.741 2.121 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.912 0.162 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.348 1.208 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.096 1.275 -5.745 1.00 0.00 H new ATOM 587 N GLU X 39 66.249 6.341 -5.701 1.00 0.00 N ATOM 588 CA GLU X 39 66.904 7.600 -5.458 1.00 0.00 C ATOM 589 C GLU X 39 67.084 7.885 -3.978 1.00 0.00 C ATOM 590 O GLU X 39 68.100 8.433 -3.568 1.00 0.00 O ATOM 591 CB GLU X 39 66.264 8.770 -6.178 1.00 0.00 C ATOM 592 CG GLU X 39 64.790 9.018 -5.912 1.00 0.00 C ATOM 593 CD GLU X 39 64.399 10.432 -6.224 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.735 10.935 -7.316 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.787 11.093 -5.362 1.00 0.00 O ATOM 0 H GLU X 39 65.293 6.408 -6.050 1.00 0.00 H new ATOM 0 HA GLU X 39 67.898 7.488 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.813 9.673 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.395 8.621 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.192 8.334 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.567 8.801 -4.867 1.00 0.00 H new ATOM 602 N HIS X 40 66.105 7.494 -3.189 1.00 0.00 N ATOM 603 CA HIS X 40 66.128 7.676 -1.749 1.00 0.00 C ATOM 604 C HIS X 40 67.300 6.938 -1.173 1.00 0.00 C ATOM 605 O HIS X 40 68.065 7.480 -0.396 1.00 0.00 O ATOM 606 CB HIS X 40 64.830 7.133 -1.143 1.00 0.00 C ATOM 607 CG HIS X 40 64.713 7.274 0.333 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.316 8.417 0.964 1.00 0.00 N ATOM 609 CD2 HIS X 40 64.961 6.376 1.308 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.335 8.193 2.268 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.723 6.959 2.532 1.00 0.00 N ATOM 0 H HIS X 40 65.261 7.036 -3.531 1.00 0.00 H new ATOM 0 HA HIS X 40 66.217 8.737 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.988 7.645 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.742 6.077 -1.399 1.00 0.00 H new ATOM 0 HD1 HIS X 40 64.051 9.291 0.510 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.294 5.360 1.153 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.068 8.923 3.018 1.00 0.00 H new ATOM 619 N PHE X 41 67.453 5.730 -1.622 1.00 0.00 N ATOM 620 CA PHE X 41 68.519 4.876 -1.229 1.00 0.00 C ATOM 621 C PHE X 41 69.871 5.524 -1.527 1.00 0.00 C ATOM 622 O PHE X 41 70.708 5.665 -0.644 1.00 0.00 O ATOM 623 CB PHE X 41 68.349 3.550 -1.956 1.00 0.00 C ATOM 624 CG PHE X 41 69.511 2.635 -1.890 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.713 1.834 -0.795 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.410 2.591 -2.919 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.805 0.993 -0.733 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.496 1.764 -2.855 1.00 0.00 C ATOM 629 CZ PHE X 41 71.696 0.963 -1.767 1.00 0.00 C ATOM 0 H PHE X 41 66.816 5.302 -2.294 1.00 0.00 H new ATOM 0 HA PHE X 41 68.493 4.702 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.481 3.037 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.129 3.755 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.011 1.862 0.026 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.261 3.214 -3.788 1.00 0.00 H new ATOM 0 HE1 PHE X 41 70.954 0.361 0.130 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.202 1.744 -3.672 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.555 0.309 -1.725 1.00 0.00 H new ATOM 639 N VAL X 42 70.072 5.937 -2.747 1.00 0.00 N ATOM 640 CA VAL X 42 71.324 6.556 -3.127 1.00 0.00 C ATOM 641 C VAL X 42 71.567 7.917 -2.468 1.00 0.00 C ATOM 642 O VAL X 42 72.690 8.277 -2.191 1.00 0.00 O ATOM 643 CB VAL X 42 71.579 6.538 -4.657 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.478 7.115 -5.453 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.917 7.110 -5.057 1.00 0.00 C ATOM 0 H VAL X 42 69.389 5.859 -3.500 1.00 0.00 H new ATOM 0 HA VAL X 42 72.098 5.914 -2.708 1.00 0.00 H new ATOM 0 HB VAL X 42 71.611 5.477 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.731 7.066 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.563 6.550 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.326 8.155 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.023 7.063 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL X 42 72.981 8.148 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.714 6.532 -4.589 1.00 0.00 H new ATOM 655 N LYS X 43 70.530 8.650 -2.208 1.00 0.00 N ATOM 656 CA LYS X 43 70.690 9.972 -1.553 1.00 0.00 C ATOM 657 C LYS X 43 71.090 9.848 -0.080 1.00 0.00 C ATOM 658 O LYS X 43 71.746 10.733 0.459 1.00 0.00 O ATOM 659 CB LYS X 43 69.436 10.866 -1.676 1.00 0.00 C ATOM 660 CG LYS X 43 68.273 10.505 -0.721 1.00 0.00 C ATOM 661 CD LYS X 43 67.033 11.354 -0.989 1.00 0.00 C ATOM 662 CE LYS X 43 67.230 12.811 -0.572 1.00 0.00 C ATOM 663 NZ LYS X 43 66.132 13.671 -1.056 1.00 0.00 N ATOM 0 H LYS X 43 69.568 8.389 -2.423 1.00 0.00 H new ATOM 0 HA LYS X 43 71.501 10.456 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.727 11.900 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.072 10.814 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.023 9.450 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.594 10.646 0.311 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.788 11.312 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.184 10.935 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.289 12.874 0.515 1.00 0.00 H new ATOM 0 HE3 LYS X 43 68.179 13.177 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 66.300 14.652 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.091 13.631 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 65.230 13.337 -0.661 1.00 0.00 H new ATOM 677 N ILE X 44 70.675 8.788 0.566 1.00 0.00 N ATOM 678 CA ILE X 44 71.002 8.601 1.965 1.00 0.00 C ATOM 679 C ILE X 44 72.325 7.863 2.125 1.00 0.00 C ATOM 680 O ILE X 44 73.110 8.174 3.014 1.00 0.00 O ATOM 681 CB ILE X 44 69.851 7.890 2.743 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.502 6.551 2.087 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.623 8.797 2.799 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.314 5.850 2.675 1.00 0.00 C ATOM 0 H ILE X 44 70.113 8.043 0.153 1.00 0.00 H new ATOM 0 HA ILE X 44 71.118 9.591 2.407 1.00 0.00 H new ATOM 0 HB ILE X 44 70.187 7.690 3.760 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.317 6.720 1.026 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.367 5.892 2.159 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.824 8.294 3.343 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.880 9.726 3.308 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.288 9.019 1.786 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.146 4.912 2.145 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.499 5.643 3.729 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.433 6.484 2.579 1.00 0.00 H new ATOM 696 N THR X 45 72.590 6.922 1.231 1.00 0.00 N ATOM 697 CA THR X 45 73.816 6.146 1.287 1.00 0.00 C ATOM 698 C THR X 45 74.955 6.904 0.644 1.00 0.00 C ATOM 699 O THR X 45 76.113 6.836 1.100 1.00 0.00 O ATOM 700 CB THR X 45 73.648 4.805 0.569 1.00 0.00 C ATOM 701 OG1 THR X 45 73.277 5.026 -0.809 1.00 0.00 O ATOM 702 CG2 THR X 45 72.579 3.985 1.239 1.00 0.00 C ATOM 0 H THR X 45 71.971 6.679 0.458 1.00 0.00 H new ATOM 0 HA THR X 45 74.042 5.966 2.338 1.00 0.00 H new ATOM 0 HB THR X 45 74.596 4.269 0.613 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.307 4.922 -0.907 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.470 3.034 0.718 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.858 3.801 2.276 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.633 4.526 1.209 1.00 0.00 H new ATOM 710 N GLU X 46 74.606 7.614 -0.428 1.00 0.00 N ATOM 711 CA GLU X 46 75.494 8.445 -1.209 1.00 0.00 C ATOM 712 C GLU X 46 76.568 7.624 -1.881 1.00 0.00 C ATOM 713 O GLU X 46 77.681 8.092 -2.147 1.00 0.00 O ATOM 714 CB GLU X 46 76.010 9.569 -0.361 1.00 0.00 C ATOM 715 CG GLU X 46 74.879 10.405 0.163 1.00 0.00 C ATOM 716 CD GLU X 46 75.330 11.490 1.038 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.678 11.213 2.193 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.341 12.647 0.597 1.00 0.00 O ATOM 0 H GLU X 46 73.650 7.619 -0.784 1.00 0.00 H new ATOM 0 HA GLU X 46 74.945 8.904 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.587 9.167 0.472 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.687 10.191 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.327 10.828 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.186 9.767 0.711 1.00 0.00 H new ATOM 725 N HIS X 47 76.189 6.403 -2.200 1.00 0.00 N ATOM 726 CA HIS X 47 77.028 5.503 -2.927 1.00 0.00 C ATOM 727 C HIS X 47 76.900 5.890 -4.409 1.00 0.00 C ATOM 728 O HIS X 47 75.803 6.179 -4.856 1.00 0.00 O ATOM 729 CB HIS X 47 76.547 4.052 -2.702 1.00 0.00 C ATOM 730 CG HIS X 47 77.509 3.010 -3.185 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.395 2.324 -4.371 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.641 2.568 -2.619 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.457 1.516 -4.478 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.238 1.627 -3.440 1.00 0.00 N ATOM 0 H HIS X 47 75.279 6.014 -1.954 1.00 0.00 H new ATOM 0 HA HIS X 47 78.066 5.564 -2.599 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.367 3.901 -1.638 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.592 3.914 -3.209 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.029 2.897 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.642 0.858 -5.314 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.109 1.124 -3.268 1.00 0.00 H new ATOM 742 N PRO X 48 77.988 5.896 -5.189 1.00 0.00 N ATOM 743 CA PRO X 48 77.961 6.339 -6.606 1.00 0.00 C ATOM 744 C PRO X 48 77.247 5.374 -7.491 1.00 0.00 C ATOM 745 O PRO X 48 76.807 5.707 -8.587 1.00 0.00 O ATOM 746 CB PRO X 48 79.417 6.290 -7.010 1.00 0.00 C ATOM 747 CG PRO X 48 80.182 6.241 -5.760 1.00 0.00 C ATOM 748 CD PRO X 48 79.334 5.491 -4.799 1.00 0.00 C ATOM 0 HA PRO X 48 77.465 7.305 -6.699 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.621 5.415 -7.627 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.688 7.166 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.141 5.744 -5.907 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.396 7.245 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.476 4.414 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.556 5.759 -3.766 1.00 0.00 H new ATOM 756 N ASP X 49 77.122 4.193 -6.998 1.00 0.00 N ATOM 757 CA ASP X 49 76.619 3.105 -7.733 1.00 0.00 C ATOM 758 C ASP X 49 75.482 2.567 -6.930 1.00 0.00 C ATOM 759 O ASP X 49 75.275 1.367 -6.840 1.00 0.00 O ATOM 760 CB ASP X 49 77.695 2.016 -7.917 1.00 0.00 C ATOM 761 CG ASP X 49 78.930 2.478 -8.662 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.865 3.019 -8.035 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.001 2.305 -9.892 1.00 0.00 O ATOM 0 H ASP X 49 77.378 3.958 -6.039 1.00 0.00 H new ATOM 0 HA ASP X 49 76.308 3.415 -8.730 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.994 1.648 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.256 1.175 -8.453 1.00 0.00 H new ATOM 768 N GLY X 50 74.779 3.501 -6.294 1.00 0.00 N ATOM 769 CA GLY X 50 73.664 3.213 -5.422 1.00 0.00 C ATOM 770 C GLY X 50 72.699 2.317 -6.021 1.00 0.00 C ATOM 771 O GLY X 50 72.432 1.251 -5.494 1.00 0.00 O ATOM 0 H GLY X 50 74.980 4.497 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.037 2.772 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.169 4.146 -5.154 1.00 0.00 H new ATOM 775 N THR X 51 72.271 2.649 -7.145 1.00 0.00 N ATOM 776 CA THR X 51 71.210 1.911 -7.705 1.00 0.00 C ATOM 777 C THR X 51 71.709 0.576 -8.255 1.00 0.00 C ATOM 778 O THR X 51 71.017 -0.444 -8.149 1.00 0.00 O ATOM 779 CB THR X 51 70.478 2.706 -8.744 1.00 0.00 C ATOM 780 OG1 THR X 51 70.645 4.118 -8.450 1.00 0.00 O ATOM 781 CG2 THR X 51 69.023 2.382 -8.621 1.00 0.00 C ATOM 0 H THR X 51 72.624 3.421 -7.710 1.00 0.00 H new ATOM 0 HA THR X 51 70.494 1.693 -6.912 1.00 0.00 H new ATOM 0 HB THR X 51 70.855 2.476 -9.741 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.172 4.650 -9.123 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.461 2.946 -9.365 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.873 1.315 -8.784 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.674 2.649 -7.624 1.00 0.00 H new ATOM 789 N ALA X 52 72.947 0.577 -8.733 1.00 0.00 N ATOM 790 CA ALA X 52 73.596 -0.612 -9.237 1.00 0.00 C ATOM 791 C ALA X 52 73.705 -1.618 -8.137 1.00 0.00 C ATOM 792 O ALA X 52 73.572 -2.796 -8.383 1.00 0.00 O ATOM 793 CB ALA X 52 74.963 -0.286 -9.813 1.00 0.00 C ATOM 0 H ALA X 52 73.528 1.414 -8.779 1.00 0.00 H new ATOM 0 HA ALA X 52 72.996 -1.029 -10.045 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.428 -1.199 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.853 0.425 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.590 0.151 -9.036 1.00 0.00 H new ATOM 799 N LEU X 53 73.896 -1.141 -6.912 1.00 0.00 N ATOM 800 CA LEU X 53 73.939 -2.025 -5.765 1.00 0.00 C ATOM 801 C LEU X 53 72.680 -2.827 -5.585 1.00 0.00 C ATOM 802 O LEU X 53 72.766 -4.005 -5.326 1.00 0.00 O ATOM 803 CB LEU X 53 74.311 -1.341 -4.465 1.00 0.00 C ATOM 804 CG LEU X 53 75.750 -0.868 -4.335 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.003 -0.413 -2.930 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.734 -1.962 -4.722 1.00 0.00 C ATOM 0 H LEU X 53 74.022 -0.153 -6.694 1.00 0.00 H new ATOM 0 HA LEU X 53 74.749 -2.713 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.656 -0.480 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.103 -2.029 -3.646 1.00 0.00 H new ATOM 0 HG LEU X 53 75.900 -0.034 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.035 -0.074 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.328 0.408 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.830 -1.241 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.753 -1.589 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.594 -2.824 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.561 -2.258 -5.757 1.00 0.00 H new ATOM 818 N ILE X 54 71.503 -2.215 -5.740 1.00 0.00 N ATOM 819 CA ILE X 54 70.260 -3.020 -5.557 1.00 0.00 C ATOM 820 C ILE X 54 70.173 -4.034 -6.668 1.00 0.00 C ATOM 821 O ILE X 54 69.866 -5.214 -6.457 1.00 0.00 O ATOM 822 CB ILE X 54 68.899 -2.232 -5.517 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.896 -1.132 -4.478 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.726 -3.179 -5.253 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.450 0.156 -4.979 1.00 0.00 C ATOM 0 H ILE X 54 71.369 -1.232 -5.976 1.00 0.00 H new ATOM 0 HA ILE X 54 70.367 -3.457 -4.564 1.00 0.00 H new ATOM 0 HB ILE X 54 68.785 -1.770 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE X 54 67.874 -0.970 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.476 -1.457 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.797 -2.610 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.675 -3.925 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.870 -3.678 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.418 0.900 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE X 54 70.482 0.009 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE X 54 68.856 0.503 -5.825 1.00 0.00 H new ATOM 837 N TYR X 55 70.490 -3.567 -7.842 1.00 0.00 N ATOM 838 CA TYR X 55 70.437 -4.361 -9.023 1.00 0.00 C ATOM 839 C TYR X 55 71.402 -5.548 -8.980 1.00 0.00 C ATOM 840 O TYR X 55 71.010 -6.677 -9.316 1.00 0.00 O ATOM 841 CB TYR X 55 70.642 -3.495 -10.249 1.00 0.00 C ATOM 842 CG TYR X 55 69.421 -2.680 -10.639 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.332 -3.278 -11.254 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.364 -1.318 -10.408 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.227 -2.538 -11.626 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.264 -0.573 -10.769 1.00 0.00 C ATOM 847 CZ TYR X 55 67.200 -1.184 -11.379 1.00 0.00 C ATOM 848 OH TYR X 55 66.104 -0.432 -11.757 1.00 0.00 O ATOM 0 H TYR X 55 70.797 -2.607 -8.001 1.00 0.00 H new ATOM 0 HA TYR X 55 69.441 -4.800 -9.083 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.476 -2.817 -10.067 1.00 0.00 H new ATOM 0 HB3 TYR X 55 70.925 -4.131 -11.088 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.348 -4.341 -11.445 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.201 -0.828 -9.934 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.389 -3.019 -12.108 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.240 0.489 -10.572 1.00 0.00 H new ATOM 0 HH TYR X 55 66.248 0.505 -11.507 1.00 0.00 H new ATOM 858 N GLU X 56 72.646 -5.316 -8.569 1.00 0.00 N ATOM 859 CA GLU X 56 73.579 -6.412 -8.428 1.00 0.00 C ATOM 860 C GLU X 56 73.234 -7.283 -7.241 1.00 0.00 C ATOM 861 O GLU X 56 73.333 -8.481 -7.339 1.00 0.00 O ATOM 862 CB GLU X 56 75.064 -6.003 -8.386 1.00 0.00 C ATOM 863 CG GLU X 56 75.445 -5.005 -7.313 1.00 0.00 C ATOM 864 CD GLU X 56 76.933 -4.968 -7.071 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.462 -5.853 -6.366 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.612 -4.068 -7.594 1.00 0.00 O ATOM 0 H GLU X 56 73.019 -4.396 -8.334 1.00 0.00 H new ATOM 0 HA GLU X 56 73.463 -6.987 -9.347 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.665 -6.902 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.333 -5.585 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.101 -4.012 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.934 -5.260 -6.385 1.00 0.00 H new ATOM 873 N ALA X 57 72.792 -6.679 -6.129 1.00 0.00 N ATOM 874 CA ALA X 57 72.418 -7.436 -4.922 1.00 0.00 C ATOM 875 C ALA X 57 71.331 -8.435 -5.238 1.00 0.00 C ATOM 876 O ALA X 57 71.335 -9.545 -4.719 1.00 0.00 O ATOM 877 CB ALA X 57 71.973 -6.520 -3.789 1.00 0.00 C ATOM 0 H ALA X 57 72.684 -5.669 -6.039 1.00 0.00 H new ATOM 0 HA ALA X 57 73.308 -7.969 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.707 -7.120 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.786 -5.843 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.107 -5.940 -4.109 1.00 0.00 H new ATOM 883 N ALA X 58 70.398 -8.023 -6.086 1.00 0.00 N ATOM 884 CA ALA X 58 69.325 -8.882 -6.549 1.00 0.00 C ATOM 885 C ALA X 58 69.888 -10.112 -7.266 1.00 0.00 C ATOM 886 O ALA X 58 69.507 -11.234 -6.965 1.00 0.00 O ATOM 887 CB ALA X 58 68.399 -8.114 -7.474 1.00 0.00 C ATOM 0 H ALA X 58 70.367 -7.079 -6.472 1.00 0.00 H new ATOM 0 HA ALA X 58 68.757 -9.219 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.598 -8.770 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.971 -7.267 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.962 -7.753 -8.334 1.00 0.00 H new ATOM 893 N ALA X 59 70.827 -9.892 -8.175 1.00 0.00 N ATOM 894 CA ALA X 59 71.449 -10.980 -8.929 1.00 0.00 C ATOM 895 C ALA X 59 72.341 -11.823 -8.011 1.00 0.00 C ATOM 896 O ALA X 59 72.342 -13.058 -8.080 1.00 0.00 O ATOM 897 CB ALA X 59 72.242 -10.426 -10.101 1.00 0.00 C ATOM 0 H ALA X 59 71.179 -8.965 -8.412 1.00 0.00 H new ATOM 0 HA ALA X 59 70.665 -11.625 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.699 -11.248 -10.652 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.575 -9.872 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA X 59 73.021 -9.760 -9.731 1.00 0.00 H new ATOM 903 N ARG X 60 73.055 -11.140 -7.125 1.00 0.00 N ATOM 904 CA ARG X 60 73.923 -11.764 -6.130 1.00 0.00 C ATOM 905 C ARG X 60 73.111 -12.632 -5.167 1.00 0.00 C ATOM 906 O ARG X 60 73.627 -13.555 -4.586 1.00 0.00 O ATOM 907 CB ARG X 60 74.747 -10.704 -5.365 1.00 0.00 C ATOM 908 CG ARG X 60 75.788 -9.986 -6.226 1.00 0.00 C ATOM 909 CD ARG X 60 76.398 -8.767 -5.524 1.00 0.00 C ATOM 910 NE ARG X 60 77.149 -9.102 -4.305 1.00 0.00 N ATOM 911 CZ ARG X 60 77.911 -8.229 -3.597 1.00 0.00 C ATOM 912 NH1 ARG X 60 78.095 -6.968 -4.016 1.00 0.00 N ATOM 913 NH2 ARG X 60 78.502 -8.630 -2.481 1.00 0.00 N ATOM 0 H ARG X 60 73.048 -10.121 -7.075 1.00 0.00 H new ATOM 0 HA ARG X 60 74.625 -12.411 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG X 60 74.066 -9.964 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG X 60 75.252 -11.186 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.583 -10.685 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG X 60 75.324 -9.668 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG X 60 77.062 -8.253 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.601 -8.069 -5.269 1.00 0.00 H new ATOM 0 HE ARG X 60 77.093 -10.062 -3.966 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.659 -6.649 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.671 -6.328 -3.469 1.00 0.00 H new ATOM 0 HH21 ARG X 60 78.383 -9.590 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG X 60 79.076 -7.979 -1.945 1.00 0.00 H new ATOM 927 N ALA X 61 71.871 -12.255 -4.933 1.00 0.00 N ATOM 928 CA ALA X 61 70.953 -13.055 -4.132 1.00 0.00 C ATOM 929 C ALA X 61 70.341 -14.194 -4.944 1.00 0.00 C ATOM 930 O ALA X 61 70.271 -15.328 -4.475 1.00 0.00 O ATOM 931 CB ALA X 61 69.869 -12.188 -3.538 1.00 0.00 C ATOM 0 H ALA X 61 71.467 -11.389 -5.289 1.00 0.00 H new ATOM 0 HA ALA X 61 71.530 -13.500 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA X 61 69.195 -12.805 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA X 61 70.320 -11.427 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA X 61 69.309 -11.706 -4.339 1.00 0.00 H new ATOM 937 N ALA X 62 69.880 -13.870 -6.162 1.00 0.00 N ATOM 938 CA ALA X 62 69.233 -14.837 -7.060 1.00 0.00 C ATOM 939 C ALA X 62 70.142 -16.021 -7.313 1.00 0.00 C ATOM 940 O ALA X 62 69.708 -17.171 -7.307 1.00 0.00 O ATOM 941 CB ALA X 62 68.841 -14.171 -8.370 1.00 0.00 C ATOM 0 H ALA X 62 69.946 -12.930 -6.551 1.00 0.00 H new ATOM 0 HA ALA X 62 68.326 -15.200 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.364 -14.903 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.146 -13.355 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.732 -13.777 -8.859 1.00 0.00 H new ATOM 947 N ALA X 63 71.386 -15.733 -7.542 1.00 0.00 N ATOM 948 CA ALA X 63 72.386 -16.736 -7.657 1.00 0.00 C ATOM 949 C ALA X 63 73.523 -16.334 -6.767 1.00 0.00 C ATOM 950 O ALA X 63 74.414 -15.588 -7.176 1.00 0.00 O ATOM 951 CB ALA X 63 72.846 -16.909 -9.096 1.00 0.00 C ATOM 0 H ALA X 63 71.735 -14.781 -7.655 1.00 0.00 H new ATOM 0 HA ALA X 63 71.985 -17.702 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA X 63 73.611 -17.684 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA X 63 71.998 -17.198 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.260 -15.969 -9.461 1.00 0.00 H new ATOM 957 N ASN X 64 73.431 -16.719 -5.522 1.00 0.00 N ATOM 958 CA ASN X 64 74.444 -16.373 -4.570 1.00 0.00 C ATOM 959 C ASN X 64 75.595 -17.342 -4.658 1.00 0.00 C ATOM 960 O ASN X 64 75.414 -18.549 -4.477 1.00 0.00 O ATOM 961 CB ASN X 64 73.885 -16.309 -3.148 1.00 0.00 C ATOM 962 CG ASN X 64 74.891 -15.744 -2.171 1.00 0.00 C ATOM 963 OD1 ASN X 64 75.661 -16.473 -1.548 1.00 0.00 O ATOM 964 ND2 ASN X 64 74.929 -14.445 -2.062 1.00 0.00 N ATOM 0 H ASN X 64 72.662 -17.273 -5.146 1.00 0.00 H new ATOM 0 HA ASN X 64 74.810 -15.376 -4.815 1.00 0.00 H new ATOM 0 HB2 ASN X 64 72.985 -15.694 -3.139 1.00 0.00 H new ATOM 0 HB3 ASN X 64 73.591 -17.309 -2.828 1.00 0.00 H new ATOM 0 HD21 ASN X 64 75.612 -14.005 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN X 64 74.276 -13.869 -2.593 1.00 0.00 H new ATOM 971 N PRO X 65 76.801 -16.827 -4.927 1.00 0.00 N ATOM 972 CA PRO X 65 78.007 -17.645 -5.107 1.00 0.00 C ATOM 973 C PRO X 65 78.597 -18.154 -3.784 1.00 0.00 C ATOM 974 O PRO X 65 79.677 -18.770 -3.757 1.00 0.00 O ATOM 975 CB PRO X 65 78.982 -16.673 -5.784 1.00 0.00 C ATOM 976 CG PRO X 65 78.569 -15.323 -5.297 1.00 0.00 C ATOM 977 CD PRO X 65 77.081 -15.382 -5.107 1.00 0.00 C ATOM 0 HA PRO X 65 77.798 -18.549 -5.679 1.00 0.00 H new ATOM 0 HB2 PRO X 65 80.014 -16.894 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO X 65 78.917 -16.739 -6.870 1.00 0.00 H new ATOM 0 HG2 PRO X 65 79.071 -15.077 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO X 65 78.839 -14.550 -6.017 1.00 0.00 H new ATOM 0 HD2 PRO X 65 76.766 -14.803 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO X 65 76.552 -14.977 -5.970 1.00 0.00 H new ATOM 985 N GLY X 66 77.877 -17.932 -2.714 1.00 0.00 N ATOM 986 CA GLY X 66 78.346 -18.285 -1.415 1.00 0.00 C ATOM 987 C GLY X 66 79.087 -17.135 -0.830 1.00 0.00 C ATOM 988 O GLY X 66 80.265 -17.244 -0.503 1.00 0.00 O ATOM 0 H GLY X 66 76.952 -17.502 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY X 66 77.507 -18.556 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY X 66 78.996 -19.158 -1.475 1.00 0.00 H new ATOM 992 N GLY X 67 78.421 -16.018 -0.742 1.00 0.00 N ATOM 993 CA GLY X 67 79.045 -14.833 -0.241 1.00 0.00 C ATOM 994 C GLY X 67 78.030 -13.829 0.219 1.00 0.00 C ATOM 995 O GLY X 67 76.814 -14.025 0.029 1.00 0.00 O ATOM 0 H GLY X 67 77.444 -15.906 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY X 67 79.705 -15.091 0.588 1.00 0.00 H new ATOM 0 HA3 GLY X 67 79.668 -14.392 -1.019 1.00 0.00 H new ATOM 999 N ASP X 68 78.499 -12.758 0.790 1.00 0.00 N ATOM 1000 CA ASP X 68 77.634 -11.721 1.322 1.00 0.00 C ATOM 1001 C ASP X 68 77.297 -10.730 0.227 1.00 0.00 C ATOM 1002 O ASP X 68 77.902 -10.758 -0.855 1.00 0.00 O ATOM 1003 CB ASP X 68 78.287 -10.999 2.513 1.00 0.00 C ATOM 1004 CG ASP X 68 79.452 -10.114 2.124 1.00 0.00 C ATOM 1005 OD1 ASP X 68 80.498 -10.632 1.695 1.00 0.00 O ATOM 1006 OD2 ASP X 68 79.342 -8.886 2.245 1.00 0.00 O ATOM 0 H ASP X 68 79.495 -12.569 0.905 1.00 0.00 H new ATOM 0 HA ASP X 68 76.719 -12.190 1.683 1.00 0.00 H new ATOM 0 HB2 ASP X 68 77.534 -10.393 3.016 1.00 0.00 H new ATOM 0 HB3 ASP X 68 78.631 -11.742 3.233 1.00 0.00 H new ATOM 1011 N GLY X 69 76.337 -9.873 0.489 1.00 0.00 N ATOM 1012 CA GLY X 69 75.895 -8.905 -0.500 1.00 0.00 C ATOM 1013 C GLY X 69 74.749 -9.442 -1.302 1.00 0.00 C ATOM 1014 O GLY X 69 74.351 -8.868 -2.313 1.00 0.00 O ATOM 0 H GLY X 69 75.843 -9.823 1.380 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.595 -7.983 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.722 -8.654 -1.164 1.00 0.00 H new ATOM 1018 N GLY X 70 74.227 -10.548 -0.854 1.00 0.00 N ATOM 1019 CA GLY X 70 73.124 -11.155 -1.500 1.00 0.00 C ATOM 1020 C GLY X 70 71.877 -10.907 -0.725 1.00 0.00 C ATOM 1021 O GLY X 70 71.752 -11.353 0.421 1.00 0.00 O ATOM 0 H GLY X 70 74.562 -11.046 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.019 -10.757 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.294 -12.227 -1.597 1.00 0.00 H new ATOM 1025 N GLY X 71 70.991 -10.154 -1.293 1.00 0.00 N ATOM 1026 CA GLY X 71 69.759 -9.903 -0.661 1.00 0.00 C ATOM 1027 C GLY X 71 69.715 -8.548 -0.024 1.00 0.00 C ATOM 1028 O GLY X 71 70.716 -7.816 -0.037 1.00 0.00 O ATOM 0 H GLY X 71 71.110 -9.704 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY X 71 68.954 -9.985 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.580 -10.665 0.097 1.00 0.00 H new ATOM 1032 N PRO X 72 68.594 -8.218 0.602 1.00 0.00 N ATOM 1033 CA PRO X 72 68.351 -6.907 1.177 1.00 0.00 C ATOM 1034 C PRO X 72 69.301 -6.603 2.316 1.00 0.00 C ATOM 1035 O PRO X 72 69.830 -5.517 2.419 1.00 0.00 O ATOM 1036 CB PRO X 72 66.912 -6.979 1.677 1.00 0.00 C ATOM 1037 CG PRO X 72 66.613 -8.430 1.809 1.00 0.00 C ATOM 1038 CD PRO X 72 67.470 -9.133 0.803 1.00 0.00 C ATOM 0 HA PRO X 72 68.509 -6.111 0.450 1.00 0.00 H new ATOM 0 HB2 PRO X 72 66.802 -6.466 2.633 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.228 -6.499 0.977 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.831 -8.781 2.818 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.557 -8.627 1.624 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.805 -10.103 1.171 1.00 0.00 H new ATOM 0 HD3 PRO X 72 66.930 -9.313 -0.126 1.00 0.00 H new ATOM 1046 N GLU X 73 69.573 -7.589 3.119 1.00 0.00 N ATOM 1047 CA GLU X 73 70.445 -7.433 4.253 1.00 0.00 C ATOM 1048 C GLU X 73 71.918 -7.414 3.838 1.00 0.00 C ATOM 1049 O GLU X 73 72.810 -7.304 4.679 1.00 0.00 O ATOM 1050 CB GLU X 73 70.148 -8.491 5.294 1.00 0.00 C ATOM 1051 CG GLU X 73 68.700 -8.484 5.719 1.00 0.00 C ATOM 1052 CD GLU X 73 68.339 -9.643 6.599 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.472 -9.546 7.821 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.877 -10.671 6.073 1.00 0.00 O ATOM 0 H GLU X 73 69.196 -8.530 3.008 1.00 0.00 H new ATOM 0 HA GLU X 73 70.249 -6.462 4.707 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.403 -9.473 4.894 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.781 -8.328 6.166 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.487 -7.555 6.247 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.067 -8.498 4.832 1.00 0.00 H new ATOM 1061 N GLY X 74 72.166 -7.520 2.560 1.00 0.00 N ATOM 1062 CA GLY X 74 73.510 -7.399 2.100 1.00 0.00 C ATOM 1063 C GLY X 74 73.768 -6.108 1.366 1.00 0.00 C ATOM 1064 O GLY X 74 74.917 -5.670 1.284 1.00 0.00 O ATOM 0 H GLY X 74 71.466 -7.687 1.837 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.187 -7.468 2.951 1.00 0.00 H new ATOM 0 HA3 GLY X 74 73.740 -8.237 1.442 1.00 0.00 H new ATOM 1068 N ILE X 75 72.704 -5.468 0.860 1.00 0.00 N ATOM 1069 CA ILE X 75 72.851 -4.174 0.162 1.00 0.00 C ATOM 1070 C ILE X 75 73.387 -3.170 1.173 1.00 0.00 C ATOM 1071 O ILE X 75 74.342 -2.446 0.931 1.00 0.00 O ATOM 1072 CB ILE X 75 71.496 -3.614 -0.375 1.00 0.00 C ATOM 1073 CG1 ILE X 75 70.465 -4.742 -0.583 1.00 0.00 C ATOM 1074 CG2 ILE X 75 71.733 -2.843 -1.672 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.154 -4.322 -1.243 1.00 0.00 C ATOM 0 H ILE X 75 71.746 -5.814 0.917 1.00 0.00 H new ATOM 0 HA ILE X 75 73.513 -4.327 -0.691 1.00 0.00 H new ATOM 0 HB ILE X 75 71.084 -2.933 0.370 1.00 0.00 H new ATOM 0 HG12 ILE X 75 70.924 -5.522 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.238 -5.186 0.386 1.00 0.00 H new ATOM 0 HG21 ILE X 75 70.785 -2.454 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.416 -2.015 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.168 -3.509 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.502 -5.190 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE X 75 68.663 -3.567 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.360 -3.909 -2.230 1.00 0.00 H new ATOM 1087 N VAL X 76 72.760 -3.204 2.328 1.00 0.00 N ATOM 1088 CA VAL X 76 73.100 -2.397 3.494 1.00 0.00 C ATOM 1089 C VAL X 76 74.524 -2.596 3.914 1.00 0.00 C ATOM 1090 O VAL X 76 75.249 -1.644 4.176 1.00 0.00 O ATOM 1091 CB VAL X 76 72.153 -2.760 4.664 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.860 -4.225 4.748 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.536 -2.156 6.008 1.00 0.00 C ATOM 0 H VAL X 76 71.964 -3.819 2.494 1.00 0.00 H new ATOM 0 HA VAL X 76 72.979 -1.348 3.225 1.00 0.00 H new ATOM 0 HB VAL X 76 71.214 -2.270 4.406 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.191 -4.415 5.588 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.385 -4.555 3.824 1.00 0.00 H new ATOM 0 HG13 VAL X 76 72.790 -4.774 4.893 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.815 -2.466 6.765 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.531 -2.500 6.291 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.537 -1.069 5.931 1.00 0.00 H new ATOM 1103 N LYS X 77 74.895 -3.824 3.979 1.00 0.00 N ATOM 1104 CA LYS X 77 76.236 -4.210 4.363 1.00 0.00 C ATOM 1105 C LYS X 77 77.261 -3.601 3.417 1.00 0.00 C ATOM 1106 O LYS X 77 78.209 -2.965 3.864 1.00 0.00 O ATOM 1107 CB LYS X 77 76.383 -5.729 4.434 1.00 0.00 C ATOM 1108 CG LYS X 77 77.756 -6.185 4.894 1.00 0.00 C ATOM 1109 CD LYS X 77 77.826 -7.686 5.031 1.00 0.00 C ATOM 1110 CE LYS X 77 79.200 -8.138 5.503 1.00 0.00 C ATOM 1111 NZ LYS X 77 80.265 -7.841 4.522 1.00 0.00 N ATOM 0 H LYS X 77 74.281 -4.610 3.768 1.00 0.00 H new ATOM 0 HA LYS X 77 76.423 -3.820 5.364 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.630 -6.127 5.114 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.179 -6.152 3.450 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.509 -5.849 4.182 1.00 0.00 H new ATOM 0 HG3 LYS X 77 77.993 -5.720 5.851 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.068 -8.024 5.737 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.598 -8.151 4.072 1.00 0.00 H new ATOM 0 HE2 LYS X 77 79.435 -7.648 6.448 1.00 0.00 H new ATOM 0 HE3 LYS X 77 79.179 -9.210 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 81.019 -8.553 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 79.868 -7.864 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 80.658 -6.897 4.712 1.00 0.00 H new ATOM 1125 N GLU X 78 77.017 -3.735 2.117 1.00 0.00 N ATOM 1126 CA GLU X 78 77.906 -3.185 1.095 1.00 0.00 C ATOM 1127 C GLU X 78 78.036 -1.654 1.289 1.00 0.00 C ATOM 1128 O GLU X 78 79.126 -1.071 1.149 1.00 0.00 O ATOM 1129 CB GLU X 78 77.352 -3.508 -0.311 1.00 0.00 C ATOM 1130 CG GLU X 78 78.312 -3.216 -1.448 1.00 0.00 C ATOM 1131 CD GLU X 78 79.483 -4.170 -1.495 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.456 -3.997 -0.728 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.470 -5.103 -2.339 1.00 0.00 O ATOM 0 H GLU X 78 76.204 -4.224 1.742 1.00 0.00 H new ATOM 0 HA GLU X 78 78.894 -3.636 1.191 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.077 -4.562 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.438 -2.935 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.772 -3.266 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.685 -2.197 -1.348 1.00 0.00 H new ATOM 1140 N ILE X 79 76.921 -1.030 1.664 1.00 0.00 N ATOM 1141 CA ILE X 79 76.859 0.408 1.916 1.00 0.00 C ATOM 1142 C ILE X 79 77.640 0.797 3.166 1.00 0.00 C ATOM 1143 O ILE X 79 78.444 1.744 3.142 1.00 0.00 O ATOM 1144 CB ILE X 79 75.386 0.872 2.124 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.543 0.701 0.857 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.310 2.309 2.647 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.019 1.515 -0.311 1.00 0.00 C ATOM 0 H ILE X 79 76.032 -1.510 1.802 1.00 0.00 H new ATOM 0 HA ILE X 79 77.296 0.891 1.042 1.00 0.00 H new ATOM 0 HB ILE X 79 74.961 0.220 2.887 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.540 -0.352 0.575 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.512 0.974 1.080 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.266 2.594 2.778 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.828 2.376 3.604 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.782 2.982 1.931 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.369 1.337 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.995 2.573 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.039 1.227 -0.564 1.00 0.00 H new ATOM 1159 N LYS X 80 77.434 0.056 4.242 1.00 0.00 N ATOM 1160 CA LYS X 80 78.011 0.422 5.517 1.00 0.00 C ATOM 1161 C LYS X 80 79.511 0.305 5.472 1.00 0.00 C ATOM 1162 O LYS X 80 80.215 1.146 6.020 1.00 0.00 O ATOM 1163 CB LYS X 80 77.388 -0.378 6.694 1.00 0.00 C ATOM 1164 CG LYS X 80 77.870 -1.805 6.897 1.00 0.00 C ATOM 1165 CD LYS X 80 77.002 -2.511 7.928 1.00 0.00 C ATOM 1166 CE LYS X 80 77.587 -3.848 8.360 1.00 0.00 C ATOM 1167 NZ LYS X 80 78.792 -3.679 9.212 1.00 0.00 N ATOM 0 H LYS X 80 76.875 -0.797 4.255 1.00 0.00 H new ATOM 0 HA LYS X 80 77.768 1.467 5.707 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.574 0.175 7.614 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.308 -0.404 6.550 1.00 0.00 H new ATOM 0 HG2 LYS X 80 77.837 -2.346 5.951 1.00 0.00 H new ATOM 0 HG3 LYS X 80 78.909 -1.802 7.226 1.00 0.00 H new ATOM 0 HD2 LYS X 80 76.885 -1.869 8.801 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.006 -2.670 7.514 1.00 0.00 H new ATOM 0 HE2 LYS X 80 76.833 -4.414 8.907 1.00 0.00 H new ATOM 0 HE3 LYS X 80 77.846 -4.432 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 79.069 -4.600 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 79.572 -3.300 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 78.580 -3.019 9.987 1.00 0.00 H new ATOM 1181 N GLU X 81 79.989 -0.694 4.758 1.00 0.00 N ATOM 1182 CA GLU X 81 81.402 -0.923 4.614 1.00 0.00 C ATOM 1183 C GLU X 81 82.036 0.133 3.702 1.00 0.00 C ATOM 1184 O GLU X 81 83.159 0.573 3.932 1.00 0.00 O ATOM 1185 CB GLU X 81 81.643 -2.345 4.123 1.00 0.00 C ATOM 1186 CG GLU X 81 81.004 -3.374 5.044 1.00 0.00 C ATOM 1187 CD GLU X 81 81.180 -4.806 4.611 1.00 0.00 C ATOM 1188 OE1 GLU X 81 80.716 -5.191 3.517 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.707 -5.603 5.400 1.00 0.00 O ATOM 0 H GLU X 81 79.404 -1.367 4.263 1.00 0.00 H new ATOM 0 HA GLU X 81 81.889 -0.822 5.584 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.239 -2.456 3.117 1.00 0.00 H new ATOM 0 HB3 GLU X 81 82.715 -2.531 4.058 1.00 0.00 H new ATOM 0 HG2 GLU X 81 81.424 -3.257 6.043 1.00 0.00 H new ATOM 0 HG3 GLU X 81 79.938 -3.161 5.120 1.00 0.00 H new ATOM 1196 N TRP X 82 81.292 0.570 2.703 1.00 0.00 N ATOM 1197 CA TRP X 82 81.766 1.593 1.776 1.00 0.00 C ATOM 1198 C TRP X 82 81.873 2.935 2.488 1.00 0.00 C ATOM 1199 O TRP X 82 82.880 3.648 2.370 1.00 0.00 O ATOM 1200 CB TRP X 82 80.800 1.723 0.601 1.00 0.00 C ATOM 1201 CG TRP X 82 81.243 2.680 -0.466 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.027 2.392 -1.538 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.910 4.078 -0.577 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.195 3.509 -2.310 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.525 4.555 -1.746 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.150 4.965 0.196 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.407 5.874 -2.164 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.038 6.275 -0.218 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.661 6.716 -1.391 1.00 0.00 C ATOM 0 H TRP X 82 80.349 0.232 2.508 1.00 0.00 H new ATOM 0 HA TRP X 82 82.749 1.299 1.407 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.658 0.739 0.153 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.829 2.044 0.979 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.455 1.423 -1.750 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.737 3.553 -3.173 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.661 4.629 1.099 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.888 6.221 -3.067 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.461 6.972 0.372 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.549 7.747 -1.692 1.00 0.00 H new ATOM 1220 N ARG X 83 80.839 3.267 3.236 1.00 0.00 N ATOM 1221 CA ARG X 83 80.781 4.531 3.947 1.00 0.00 C ATOM 1222 C ARG X 83 81.837 4.530 5.056 1.00 0.00 C ATOM 1223 O ARG X 83 82.464 5.553 5.336 1.00 0.00 O ATOM 1224 CB ARG X 83 79.367 4.781 4.483 1.00 0.00 C ATOM 1225 CG ARG X 83 79.015 6.251 4.662 1.00 0.00 C ATOM 1226 CD ARG X 83 77.505 6.498 4.589 1.00 0.00 C ATOM 1227 NE ARG X 83 77.153 7.859 5.036 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.682 8.877 4.289 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.486 8.752 2.994 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.377 10.032 4.873 1.00 0.00 N ATOM 0 H ARG X 83 80.020 2.673 3.368 1.00 0.00 H new ATOM 0 HA ARG X 83 81.005 5.354 3.268 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.647 4.328 3.801 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.260 4.275 5.442 1.00 0.00 H new ATOM 0 HG2 ARG X 83 79.392 6.599 5.624 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.515 6.839 3.892 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.161 6.351 3.565 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.986 5.766 5.208 1.00 0.00 H new ATOM 0 HE ARG X 83 77.281 8.053 6.029 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.692 7.867 2.530 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.128 9.540 2.454 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.500 10.143 5.879 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.020 10.807 4.314 1.00 0.00 H new ATOM 1244 N ALA X 84 82.037 3.365 5.661 1.00 0.00 N ATOM 1245 CA ALA X 84 83.075 3.170 6.670 1.00 0.00 C ATOM 1246 C ALA X 84 84.465 3.362 6.057 1.00 0.00 C ATOM 1247 O ALA X 84 85.335 3.967 6.669 1.00 0.00 O ATOM 1248 CB ALA X 84 82.972 1.785 7.290 1.00 0.00 C ATOM 0 H ALA X 84 81.486 2.529 5.467 1.00 0.00 H new ATOM 0 HA ALA X 84 82.927 3.915 7.452 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.755 1.662 8.038 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.997 1.670 7.763 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.091 1.029 6.514 1.00 0.00 H new ATOM 1254 N ALA X 85 84.651 2.860 4.835 1.00 0.00 N ATOM 1255 CA ALA X 85 85.923 2.989 4.113 1.00 0.00 C ATOM 1256 C ALA X 85 86.225 4.449 3.809 1.00 0.00 C ATOM 1257 O ALA X 85 87.382 4.874 3.833 1.00 0.00 O ATOM 1258 CB ALA X 85 85.903 2.170 2.831 1.00 0.00 C ATOM 0 H ALA X 85 83.931 2.355 4.319 1.00 0.00 H new ATOM 0 HA ALA X 85 86.715 2.601 4.754 1.00 0.00 H new ATOM 0 HB1 ALA X 85 86.856 2.281 2.313 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.742 1.119 3.073 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.097 2.522 2.187 1.00 0.00 H new ATOM 1264 N ASN X 86 85.173 5.217 3.524 1.00 0.00 N ATOM 1265 CA ASN X 86 85.321 6.658 3.310 1.00 0.00 C ATOM 1266 C ASN X 86 85.727 7.302 4.621 1.00 0.00 C ATOM 1267 O ASN X 86 86.602 8.161 4.673 1.00 0.00 O ATOM 1268 CB ASN X 86 83.983 7.332 2.893 1.00 0.00 C ATOM 1269 CG ASN X 86 84.147 8.828 2.602 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.103 9.663 3.502 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.246 9.176 1.361 1.00 0.00 N ATOM 0 H ASN X 86 84.218 4.870 3.436 1.00 0.00 H new ATOM 0 HA ASN X 86 86.059 6.792 2.519 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.589 6.834 2.007 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.249 7.198 3.687 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.289 10.164 1.110 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.281 8.463 0.633 1.00 0.00 H new ATOM 1278 N GLY X 87 85.101 6.836 5.674 1.00 0.00 N ATOM 1279 CA GLY X 87 85.204 7.471 6.949 1.00 0.00 C ATOM 1280 C GLY X 87 84.122 8.508 7.000 1.00 0.00 C ATOM 1281 O GLY X 87 84.355 9.681 7.335 1.00 0.00 O ATOM 0 H GLY X 87 84.508 6.006 5.663 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.084 6.746 7.754 1.00 0.00 H new ATOM 0 HA3 GLY X 87 86.185 7.928 7.076 1.00 0.00 H new ATOM 1285 N LYS X 88 82.944 8.079 6.599 1.00 0.00 N ATOM 1286 CA LYS X 88 81.804 8.919 6.451 1.00 0.00 C ATOM 1287 C LYS X 88 80.715 8.356 7.365 1.00 0.00 C ATOM 1288 O LYS X 88 80.542 7.133 7.410 1.00 0.00 O ATOM 1289 CB LYS X 88 81.411 8.848 4.962 1.00 0.00 C ATOM 1290 CG LYS X 88 80.280 9.733 4.500 1.00 0.00 C ATOM 1291 CD LYS X 88 80.000 9.519 3.005 1.00 0.00 C ATOM 1292 CE LYS X 88 81.005 10.220 2.103 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.951 11.699 2.225 1.00 0.00 N ATOM 0 H LYS X 88 82.762 7.104 6.363 1.00 0.00 H new ATOM 0 HA LYS X 88 81.976 9.960 6.725 1.00 0.00 H new ATOM 0 HB2 LYS X 88 82.293 9.091 4.369 1.00 0.00 H new ATOM 0 HB3 LYS X 88 81.147 7.816 4.732 1.00 0.00 H new ATOM 0 HG2 LYS X 88 79.382 9.516 5.078 1.00 0.00 H new ATOM 0 HG3 LYS X 88 80.531 10.778 4.682 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.010 8.451 2.789 1.00 0.00 H new ATOM 0 HD3 LYS X 88 78.998 9.881 2.774 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.010 9.876 2.349 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.816 9.938 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 81.443 12.132 1.418 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.959 12.011 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.413 11.991 3.110 1.00 0.00 H new ATOM 1307 N PRO X 89 80.005 9.214 8.123 1.00 0.00 N ATOM 1308 CA PRO X 89 78.981 8.780 9.104 1.00 0.00 C ATOM 1309 C PRO X 89 77.883 7.947 8.463 1.00 0.00 C ATOM 1310 O PRO X 89 77.141 8.435 7.613 1.00 0.00 O ATOM 1311 CB PRO X 89 78.408 10.092 9.653 1.00 0.00 C ATOM 1312 CG PRO X 89 78.826 11.136 8.670 1.00 0.00 C ATOM 1313 CD PRO X 89 80.130 10.679 8.099 1.00 0.00 C ATOM 0 HA PRO X 89 79.412 8.142 9.875 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.323 10.043 9.740 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.798 10.308 10.648 1.00 0.00 H new ATOM 0 HG2 PRO X 89 78.078 11.253 7.886 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.933 12.106 9.155 1.00 0.00 H new ATOM 0 HD2 PRO X 89 80.282 11.055 7.087 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.975 11.022 8.696 1.00 0.00 H new ATOM 1321 N GLY X 90 77.806 6.696 8.854 1.00 0.00 N ATOM 1322 CA GLY X 90 76.868 5.789 8.259 1.00 0.00 C ATOM 1323 C GLY X 90 75.618 5.586 9.074 1.00 0.00 C ATOM 1324 O GLY X 90 74.864 6.528 9.314 1.00 0.00 O ATOM 0 H GLY X 90 78.387 6.287 9.586 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.591 6.162 7.273 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.354 4.825 8.110 1.00 0.00 H new ATOM 1328 N PHE X 91 75.427 4.379 9.525 1.00 0.00 N ATOM 1329 CA PHE X 91 74.218 3.983 10.213 1.00 0.00 C ATOM 1330 C PHE X 91 74.305 4.277 11.683 1.00 0.00 C ATOM 1331 O PHE X 91 75.407 4.350 12.261 1.00 0.00 O ATOM 1332 CB PHE X 91 73.955 2.480 10.017 1.00 0.00 C ATOM 1333 CG PHE X 91 73.748 2.072 8.592 1.00 0.00 C ATOM 1334 CD1 PHE X 91 74.815 1.980 7.712 1.00 0.00 C ATOM 1335 CD2 PHE X 91 72.492 1.787 8.131 1.00 0.00 C ATOM 1336 CE1 PHE X 91 74.621 1.612 6.405 1.00 0.00 C ATOM 1337 CE2 PHE X 91 72.297 1.418 6.827 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.363 1.330 5.961 1.00 0.00 C ATOM 0 H PHE X 91 76.111 3.629 9.427 1.00 0.00 H new ATOM 0 HA PHE X 91 73.397 4.559 9.786 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.796 1.920 10.425 1.00 0.00 H new ATOM 0 HB3 PHE X 91 73.075 2.199 10.595 1.00 0.00 H new ATOM 0 HD1 PHE X 91 75.813 2.201 8.060 1.00 0.00 H new ATOM 0 HD2 PHE X 91 71.648 1.854 8.801 1.00 0.00 H new ATOM 0 HE1 PHE X 91 75.462 1.546 5.730 1.00 0.00 H new ATOM 0 HE2 PHE X 91 71.300 1.195 6.476 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.204 1.039 4.933 1.00 0.00 H new ATOM 1348 N LYS X 92 73.166 4.443 12.290 1.00 0.00 N ATOM 1349 CA LYS X 92 73.074 4.649 13.675 1.00 0.00 C ATOM 1350 C LYS X 92 72.909 3.300 14.351 1.00 0.00 C ATOM 1351 O LYS X 92 72.957 2.241 13.700 1.00 0.00 O ATOM 1352 CB LYS X 92 71.869 5.530 13.978 1.00 0.00 C ATOM 1353 CG LYS X 92 70.522 4.879 13.721 1.00 0.00 C ATOM 1354 CD LYS X 92 69.355 5.749 14.171 1.00 0.00 C ATOM 1355 CE LYS X 92 69.292 5.906 15.687 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.237 6.851 16.100 1.00 0.00 N ATOM 0 H LYS X 92 72.266 4.436 11.811 1.00 0.00 H new ATOM 0 HA LYS X 92 73.973 5.142 14.044 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.915 5.837 15.023 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.939 6.436 13.376 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.423 4.667 12.657 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.480 3.923 14.242 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.441 6.733 13.711 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.422 5.312 13.815 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.108 4.934 16.145 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.256 6.255 16.056 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.228 6.929 17.137 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.426 7.785 15.684 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.313 6.506 15.770 1.00 0.00 H new ATOM 1370 N GLN X 93 72.724 3.338 15.619 1.00 0.00 N ATOM 1371 CA GLN X 93 72.521 2.193 16.397 1.00 0.00 C ATOM 1372 C GLN X 93 71.055 2.155 16.767 1.00 0.00 C ATOM 1373 O GLN X 93 70.441 3.206 16.950 1.00 0.00 O ATOM 1374 CB GLN X 93 73.363 2.300 17.658 1.00 0.00 C ATOM 1375 CG GLN X 93 74.893 2.270 17.472 1.00 0.00 C ATOM 1376 CD GLN X 93 75.490 3.545 16.867 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.488 3.499 16.154 1.00 0.00 O ATOM 1378 NE2 GLN X 93 74.942 4.682 17.199 1.00 0.00 N ATOM 0 H GLN X 93 72.711 4.206 16.155 1.00 0.00 H new ATOM 0 HA GLN X 93 72.804 1.290 15.855 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.100 3.228 18.165 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.085 1.483 18.324 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.360 2.091 18.441 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.151 1.426 16.833 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.113 4.694 17.793 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.343 5.558 16.865 1.00 0.00 H new ATOM 1387 N GLY X 94 70.495 0.995 16.826 1.00 0.00 N ATOM 1388 CA GLY X 94 69.124 0.862 17.186 1.00 0.00 C ATOM 1389 C GLY X 94 68.615 -0.453 16.724 1.00 0.00 C ATOM 1390 O GLY X 94 67.628 -0.962 17.275 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.232 -1.034 15.823 1.00 0.00 O ATOM 0 H GLY X 94 70.972 0.115 16.627 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.011 0.948 18.267 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.540 1.667 16.739 1.00 0.00 H new TER 1395 GLY X 94